6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(trifluoromethyl)benzoate CAS 877636-68-5
| CAS No. | 877636-68-5 |
| Molecular Formula | C20H15F3N2O4S |
| Molecular Weight | 436.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(trifluoromethyl)benzoate.
6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(trifluoromethyl)benzoate (CAS 877636-68-5), molecular formula C20H15F3N2O4S and molecular weight 436.40 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(trifluoromethyl)benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 436.40 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(trifluoromethyl)benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C20H15F3N2O4S |
| Molecular Weight | 436.40 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Dimethylpyrimidin Standards
- N-(2,6-dimethylpyrimidin-4-yl)-4-(((3-hydroxy-1-oxo-1H-inden-2-yl)methylene)amino)benzenesulfonamide (CAS 1024128-19-5)
- Ethyl 2-(2-(2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)acetamido)thiazol-4-yl)acetate (CAS 1226445-31-3)
- 2-(2-((4,6-Dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-1-(4-(furan-2-carbonyl)piperazin-1-yl)ethan-1-one (CAS 1226428-66-5)
- 2-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamoyl)benzoic acid (CAS 94134-30-2)
- 2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(5-(naphthalen-1-ylmethyl)thiazol-2-yl)acetamide (CAS 1848251-24-0)
- 6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-ethoxybenzoate (CAS 877635-57-9)
- 2-((4,6-Dimethylpyrimidin-2-yl)amino)-N-(4-morpholinophenyl)thiazole-4-carboxamide (CAS 1251563-89-9)
- 6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 2-chlorobenzoate (CAS 877635-63-7)
Recommended Standards
- 5-Bromo-3-methyl-2-(methylsulfonyl)-7-((2-(trimethylsilyl)ethoxy)methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS 2055938-36-6)
- Methyl 3-(2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxamido)thiophene-2-carboxylate (CAS 338782-43-7)
- 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 2-[(2,3,4,5,6-pentafluorophenyl)methylene]hydrazide, (3aR,4S,6aS)-rel- (CAS 1214982-06-5)
- N-(3,4-dimethylphenyl)-3-(2-nitro-4-(trifluoromethyl)phenoxy)thiophene-2-carboxamide (CAS 252026-61-2)
- 4-Amino-N-(1-phenyl-1H-pyrazol-4-yl)benzenesulfonamide (CAS 15520-50-0)
- 2,2-dimethylcyclopropan-1-amine (CAS 73434-10-3)
- Tetrahydro-11-deoxy Cortisol 21-O-beta-D-Glucuronide (CAS 56162-38-0)
- N-((5-methylfuran-2-yl)methyl)-2,3-dihydro-1H-inden-5-amine (CAS 864421-66-9)
- 4-Tosyl Mycophenolic Acid-d (CAS 1185242-13-0)
- 2-{[1-(2,2,2-trifluoroethyl)-1h-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid (CAS 1038303-87-5)
- [(2R)-2-Nitrocyclopropyl]benzene (CAS 168974-79-6)
- 1-Cinnamoyl-5-phenylpyrazolidin-3-one (CAS 821773-09-5)
- (S)-N-(2-((1-benzylpyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide (CAS 226228-42-8)
- Semaglutide Impurity 137 (x TFA Salt) (CAS CATO-C4X-2226137)
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